308193 <common-name>3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one</common-name> <description>3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one belongs to the 1-benzothiophenes, a subclass of benzothiophenes within the organic compounds. It is an organoheterocyclic compound with the formula C17H21NOS and an average molecular weight of 287.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3046067</pubchem-id> <chemical-formula>C17H21NOS</chemical-formula> <weight>287.4</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T02:33:49Z</created-at> <updated-at type="dateTime">2026-08-29T02:33:49Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CCCN(CC1)CCC(=O)C2=CC3=CC=CC=C3S2</moldb-smiles> <moldb-formula>C17H21NOS</moldb-formula> <moldb-inchi>InChI=1S/C17H21NOS/c19-15(9-12-18-10-5-1-2-6-11-18)17-13-14-7-3-4-8-16(14)20-17/h3-4,7-8,13H,1-2,5-6,9-12H2</moldb-inchi> <moldb-inchikey>UROIFATVYTTXKF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">287.1343855</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM304086</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-(azepan-1-yl)-1-(1-benzothiophen-2-yl)propan-1-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzothiophenes</klass> <subklass>1-benzothiophenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0259221</sync-id> <structure-inchikey>UROIFATVYTTXKF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000080000000000000000000200000000000000000000000000000000000000000000000000000000000000010000000000400000000000000000000000800000000000000000000002000001000100000000000000000000000000001000000000020000050040000000002010000000000000000000000080000000000000180000000000000400000000000010000000000200000002000000000000800000000000008000000000200000000000000a000000000000000000408000000000000000000000000000000040000000000000200000000010000000000000001000040000000000400000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������� ������`�������`�������`�������`�������(�������(������@(������@h�������@(������@h�������@h�������@h�������@h�������@(������@(������������������������������� � (� � ��h�� h� �h���h���h���h���h���h������h�� h�B����������������� ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:09Z</structure-indexed-at> </compound>